SCHEMBL6608035

SCHEMBL6608035

Cn1nc(C(F)(F)F)c(C#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
RXRA P19793 4/20 0.37
RXRG P48443 4/20 0.37
RXRB P28702 3/20 0.37
AGBL2 Q5U5Z8 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AKR1B1 P15121 1/20 0.35
PKM P14618 2/20 0.34
NPC1 O15118 2/20 0.34
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7510079 0.89 PTGDR2 (0.43) PTGDR2RXRARXRGRXRBAGBL2
SCHEMBL6605724 0.87 MEN1 (0.39) MAPTNPSR1PKMNPC1ALDH1A1
SCHEMBL6603401 0.74 XPO1 (0.37) PTGDR2
SCHEMBL7510983 0.71 AGBL2 (0.38) PTGDR2RXRARXRGRXRBAGBL2
SCHEMBL6604749 0.66 PTGDR2 (0.37) PTGDR2MAPTNPSR1ALDH1A1CYP1A2
SCHEMBL6604766 0.66 PTGDR2 (0.48) PTGDR2AGBL2FFAR1
SCHEMBL6553318 0.62 CES2 (0.47) RXRARXRGRXRBMAPTFFAR1
SCHEMBL504122 0.62 RXRA (0.68) RXRARXRGRXRBAGBL2
SCHEMBL509209 0.60 RXRA (0.49) PTGDR2RXRARXRGRXRBAGBL2
SCHEMBL21624702 0.60 PKM (0.57) RXRARXRGRXRBAGBL2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219173-B1 INSECTICIDES AND ACARICIDES AGRO KANESHO CO LTD (JP) 2004-06-16 EP disclosed
US-20020156115-A1 Insecticidal and acaricidal composition, and methods of using the same AGRO-KANESHO CO., LTD. (JP) 2002-10-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020156115-A1 Insecticidal and acaricidal composition, and methods of using the same GSTO1, CBR3, CBR1 PTGDR2 1223/4885RXRA 2476/4885RXRG 1720/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.